SCHEMBL7408231

SCHEMBL7408231

O=C(OC1CCc2c(c3cc(Cl)cc(C(F)(F)F)c3n2CCN2CCCC2)C1)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.36
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36
FABP4 P15090 2/20 0.36
OPRK1 P41145 1/20 0.34
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE2A O00408 1/20 0.32
FABP3 P05413 1/20 0.32
MCHR1 Q99705 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7410311 0.78 DRD2 (0.38) PTGDR2PDE2AMCHR1
SCHEMBL7415602 0.76 RBP4 (0.34)
SCHEMBL7461085 0.61 PTGDR2 (0.35) PTGDR2
SCHEMBL27500253 0.60 KMT2A (0.50) KDM4ENPC1LMNARAB9A
SCHEMBL7993233 0.60 CES2 (0.50) KDM4ENPC1LMNASMN1; SMN2L3MBTL1
SCHEMBL8551876 0.60 BCHE (0.58) L3MBTL1
SCHEMBL7408465 0.60 KMT2A (0.47) KDM4ENPC1LMNARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL8550401 0.59 BCHE (0.57) L3MBTL1
SCHEMBL7415530 0.58 TBXA2R (0.50) FABP4PTGDR2
SCHEMBL7408065 0.57 HDAC6 (0.47) KCNH2FABP4PTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed